2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

C18H22N2OS — CID 126263054

IUPAC2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(C(C)(C)C)cc1)c1cccs1
InChIInChI=1S/C18H22N2OS/c1-13(16-6-5-11-22-16)19-20-17(21)12-14-7-9-15(10-8-14)18(2,3)4/h5-11H,12H2,1-4H3,(H,20,21)/b19-13-
InChIKeyNXBVRJHWGYFBEG-UYRXBGFRSA-N
MW314.45 g/mol
LogP4.13
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (PubChem CID 126263054) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
PubChem CID126263054
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(C(C)(C)C)cc1)c1cccs1
InChIInChI=1S/C18H22N2OS/c1-13(16-6-5-11-22-16)19-20-17(21)12-14-7-9-15(10-8-14)18(2,3)4/h5-11H,12H2,1-4H3,(H,20,21)/b19-13-
InChIKeyNXBVRJHWGYFBEG-UYRXBGFRSA-N
XLogP4.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 4564846
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 6368519
2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 6338643
N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
CID 6382408
N-(1-thiophen-2-ylethylideneamino)octanamide
CID 2841814
N-(1-thiophen-2-ylethylideneamino)dodecanamide
CID 4295829
N-[(E)-1-thiophen-2-ylethylideneamino]nonanamide
CID 6307256
2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide
CID 25237592
N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 19659603
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 5143876

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (CID 126263054) is 2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is C/C(=N/NC(=O)Cc1ccc(C(C)(C)C)cc1)c1cccs1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The InChIKey is NXBVRJHWGYFBEG-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13(16-6-5-11-22-16)19-20-17(21)12-14-7-9-15(10-8-14)18(2,3)4/h5-11H,12H2,1-4H3,(H,20,21)/b19-13-.
What are the key properties of 2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide has a molecular weight of 314.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 126263054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).